SCHEMBL9861824

SCHEMBL9861824

O=S(O)(=S)OCCOc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAOB P27338 3/20 0.41
HPGD P15428 2/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
NPC1 O15118 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAOA P21397 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CA1 P00915 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9451333 0.80 CA1 (0.55) KMT2AMEN1MAOBKCNH2CA1
SCHEMBL6271706 0.80 MEN1 (0.46) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL1345118 0.78 MAOB (0.57) MAOBRAB9ANPSR1NPC1KCNH2
SCHEMBL3459447 0.78 KMT2A (0.47) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL11544047 0.76 LTA4H (0.46) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL9490849 0.76 KMT2A (0.46) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL9451336 0.76 CYP1A2 (0.47) KMT2AMEN1CYP1A2CYP3A4CYP2C19
2-(4-Chlorphenoxy)-Ethanol SCHEMBL9451335 0.75 CA1 (0.48) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL29105126 0.75 CA2 (0.57) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL9860965 0.74 KDM4E (0.43) KMT2AMEN1RAB9AALDH1A1CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150168-B1 USE OF METAL SALTS OF THIOSULPHURIC -S-ESTERS AS RUBBER/METAL BONDING PROMOTERS MONSANTO EUROPE S.A./N.V. (BE) 1991-05-08 EP disclosed
US-4581297-A STEEL BELTED RADIAL TIRES MONSANTO EUROPE, S.A. (BE) 1986-04-08 US disclosed
EP-0150168-A2 Use of metal salts of thiosulphuric -S-esters as rubber/metal bonding promoters MONSANTO EUROPE S.A./N.V. (BE) 1985-07-31 EP disclosed